USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot 180:sc= 0.0184 USER MOD Set 1.2: A 86 ASN : amide:sc= -0.606 K(o=-0.59,f=-4.1!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 17 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0) USER MOD Set 3.2: A 66 ASN : amide:sc= 1.03 K(o=2.2,f=-13!) USER MOD Single : A 3 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 130:sc= -0.0042 USER MOD Single : A 7 THR OG1 : rot 74:sc= 0.418 USER MOD Single : A 9 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= -3.66! USER MOD Single : A 41 ASN : amide:sc= 0.275 X(o=0.28,f=-0.021) USER MOD Single : A 44 THR OG1 : rot 19:sc= -2.59! USER MOD Single : A 47 SER OG : rot -62:sc= 0.0196 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0951 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.223 K(o=-0.22,f=-3.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.13) USER MOD Single : A 80 GLN : amide:sc= -0.239 K(o=-0.24,f=-3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.803 F(o=-3.8!,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -6.202 5.891 -15.153 1.00 0.00 N ATOM 32 CA GLN A 3 -6.461 4.638 -14.381 1.00 0.00 C ATOM 33 C GLN A 3 -6.841 4.971 -12.929 1.00 0.00 C ATOM 34 O GLN A 3 -6.439 4.281 -12.011 1.00 0.00 O ATOM 35 CB GLN A 3 -5.139 3.868 -14.426 1.00 0.00 C ATOM 36 CG GLN A 3 -4.823 3.467 -15.870 1.00 0.00 C ATOM 37 CD GLN A 3 -5.901 2.505 -16.389 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.523 2.768 -17.399 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.154 1.394 -15.742 1.00 0.00 N ATOM 0 HA GLN A 3 -7.287 4.061 -14.797 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.334 4.485 -14.025 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.203 2.980 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.779 4.354 -16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.844 2.991 -15.919 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.635 1.168 -14.894 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.870 0.755 -16.087 1.00 0.00 H new ATOM 48 N GLU A 4 -7.615 6.018 -12.708 1.00 0.00 N ATOM 49 CA GLU A 4 -8.010 6.366 -11.292 1.00 0.00 C ATOM 50 C GLU A 4 -8.773 5.193 -10.659 1.00 0.00 C ATOM 51 O GLU A 4 -8.587 4.887 -9.497 1.00 0.00 O ATOM 52 CB GLU A 4 -8.913 7.607 -11.371 1.00 0.00 C ATOM 53 CG GLU A 4 -8.062 8.839 -11.681 1.00 0.00 C ATOM 54 CD GLU A 4 -8.943 9.925 -12.301 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.721 9.598 -13.183 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.826 11.066 -11.884 1.00 0.00 O ATOM 0 H GLU A 4 -7.985 6.636 -13.430 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.132 6.565 -10.677 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.669 7.471 -12.144 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.442 7.745 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.596 9.211 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.256 8.575 -12.366 1.00 0.00 H new ATOM 63 N GLN A 5 -9.622 4.520 -11.415 1.00 0.00 N ATOM 64 CA GLN A 5 -10.382 3.348 -10.833 1.00 0.00 C ATOM 65 C GLN A 5 -9.385 2.341 -10.235 1.00 0.00 C ATOM 66 O GLN A 5 -9.598 1.818 -9.157 1.00 0.00 O ATOM 67 CB GLN A 5 -11.167 2.711 -12.003 1.00 0.00 C ATOM 68 CG GLN A 5 -11.866 1.422 -11.544 1.00 0.00 C ATOM 69 CD GLN A 5 -13.389 1.588 -11.640 1.00 0.00 C ATOM 70 OE1 GLN A 5 -14.037 1.898 -10.659 1.00 0.00 O ATOM 71 NE2 GLN A 5 -13.998 1.396 -12.785 1.00 0.00 N ATOM 0 H GLN A 5 -9.821 4.725 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.061 3.657 -10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.906 3.418 -12.380 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.488 2.490 -12.827 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.544 0.584 -12.162 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.581 1.190 -10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -13.460 1.136 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.010 1.507 -12.849 1.00 0.00 H new ATOM 80 N TYR A 6 -8.283 2.097 -10.909 1.00 0.00 N ATOM 81 CA TYR A 6 -7.262 1.153 -10.344 1.00 0.00 C ATOM 82 C TYR A 6 -6.519 1.857 -9.197 1.00 0.00 C ATOM 83 O TYR A 6 -6.169 1.238 -8.211 1.00 0.00 O ATOM 84 CB TYR A 6 -6.293 0.805 -11.487 1.00 0.00 C ATOM 85 CG TYR A 6 -6.916 -0.249 -12.372 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.939 0.099 -13.264 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.473 -1.575 -12.301 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.517 -0.876 -14.081 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.052 -2.552 -13.120 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.074 -2.203 -14.011 1.00 0.00 C ATOM 91 OH TYR A 6 -8.646 -3.165 -14.818 1.00 0.00 O ATOM 0 H TYR A 6 -8.048 2.505 -11.814 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.719 0.245 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.066 1.697 -12.070 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.349 0.442 -11.080 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.281 1.122 -13.320 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.684 -1.845 -11.614 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.306 -0.606 -14.767 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.710 -3.575 -13.064 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.941 -3.669 -15.276 1.00 0.00 H new ATOM 101 N THR A 7 -6.293 3.154 -9.308 1.00 0.00 N ATOM 102 CA THR A 7 -5.590 3.887 -8.200 1.00 0.00 C ATOM 103 C THR A 7 -6.495 3.943 -6.961 1.00 0.00 C ATOM 104 O THR A 7 -6.030 3.790 -5.848 1.00 0.00 O ATOM 105 CB THR A 7 -5.313 5.314 -8.723 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.511 5.254 -9.907 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.602 6.147 -7.647 1.00 0.00 C ATOM 0 H THR A 7 -6.562 3.727 -10.108 1.00 0.00 H new ATOM 0 HA THR A 7 -4.663 3.388 -7.916 1.00 0.00 H new ATOM 0 HB THR A 7 -6.264 5.791 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.058 4.941 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.413 7.150 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.232 6.209 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.655 5.674 -7.387 1.00 0.00 H new ATOM 115 N GLU A 8 -7.786 4.156 -7.139 1.00 0.00 N ATOM 116 CA GLU A 8 -8.694 4.210 -5.941 1.00 0.00 C ATOM 117 C GLU A 8 -8.808 2.814 -5.322 1.00 0.00 C ATOM 118 O GLU A 8 -8.774 2.666 -4.114 1.00 0.00 O ATOM 119 CB GLU A 8 -10.066 4.696 -6.435 1.00 0.00 C ATOM 120 CG GLU A 8 -10.712 5.575 -5.362 1.00 0.00 C ATOM 121 CD GLU A 8 -12.071 6.072 -5.861 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.142 6.494 -7.003 1.00 0.00 O ATOM 123 OE2 GLU A 8 -13.016 6.023 -5.090 1.00 0.00 O ATOM 0 H GLU A 8 -8.240 4.292 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.306 4.885 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.952 5.259 -7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.708 3.843 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.836 5.009 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.065 6.422 -5.132 1.00 0.00 H new ATOM 130 N ASN A 9 -8.914 1.785 -6.135 1.00 0.00 N ATOM 131 CA ASN A 9 -8.995 0.399 -5.560 1.00 0.00 C ATOM 132 C ASN A 9 -7.601 -0.022 -5.082 1.00 0.00 C ATOM 133 O ASN A 9 -7.459 -0.634 -4.040 1.00 0.00 O ATOM 134 CB ASN A 9 -9.487 -0.526 -6.682 1.00 0.00 C ATOM 135 CG ASN A 9 -10.940 -0.181 -7.031 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.218 0.905 -7.500 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.889 -1.061 -6.823 1.00 0.00 N ATOM 0 H ASN A 9 -8.947 1.841 -7.153 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.676 0.351 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.854 -0.415 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.415 -1.567 -6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.856 -0.833 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.661 -1.974 -6.430 1.00 0.00 H new ATOM 144 N LEU A 10 -6.563 0.321 -5.821 1.00 0.00 N ATOM 145 CA LEU A 10 -5.178 -0.048 -5.369 1.00 0.00 C ATOM 146 C LEU A 10 -4.817 0.766 -4.119 1.00 0.00 C ATOM 147 O LEU A 10 -4.188 0.257 -3.211 1.00 0.00 O ATOM 148 CB LEU A 10 -4.222 0.288 -6.528 1.00 0.00 C ATOM 149 CG LEU A 10 -2.790 -0.094 -6.144 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.700 -1.609 -5.940 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.835 0.325 -7.263 1.00 0.00 C ATOM 0 H LEU A 10 -6.615 0.832 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.108 -1.106 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.523 -0.249 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.275 1.352 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.515 0.413 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.680 -1.879 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.381 -1.910 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.975 -2.118 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.815 0.054 -6.991 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.112 -0.183 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.897 1.403 -7.409 1.00 0.00 H new ATOM 163 N LYS A 11 -5.216 2.024 -4.054 1.00 0.00 N ATOM 164 CA LYS A 11 -4.884 2.841 -2.832 1.00 0.00 C ATOM 165 C LYS A 11 -5.504 2.200 -1.581 1.00 0.00 C ATOM 166 O LYS A 11 -4.929 2.260 -0.510 1.00 0.00 O ATOM 167 CB LYS A 11 -5.470 4.244 -3.055 1.00 0.00 C ATOM 168 CG LYS A 11 -5.043 5.163 -1.908 1.00 0.00 C ATOM 169 CD LYS A 11 -6.129 5.177 -0.828 1.00 0.00 C ATOM 170 CE LYS A 11 -7.039 6.392 -1.030 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.350 6.872 0.346 1.00 0.00 N ATOM 0 H LYS A 11 -5.745 2.510 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.806 2.891 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.124 4.647 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.557 4.192 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.100 4.818 -1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.875 6.173 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.715 4.259 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.672 5.213 0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.541 7.165 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.947 6.120 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.971 7.705 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.829 6.117 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.467 7.130 0.832 1.00 0.00 H new ATOM 185 N VAL A 12 -6.661 1.576 -1.698 1.00 0.00 N ATOM 186 CA VAL A 12 -7.275 0.931 -0.487 1.00 0.00 C ATOM 187 C VAL A 12 -6.479 -0.331 -0.134 1.00 0.00 C ATOM 188 O VAL A 12 -6.133 -0.549 1.014 1.00 0.00 O ATOM 189 CB VAL A 12 -8.725 0.575 -0.861 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.397 -0.152 0.305 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.498 1.857 -1.172 1.00 0.00 C ATOM 0 H VAL A 12 -7.196 1.487 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.260 1.593 0.379 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.722 -0.074 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.423 -0.402 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.848 -1.067 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.400 0.494 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.525 1.607 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.497 2.504 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.024 2.375 -2.006 1.00 0.00 H new ATOM 201 N ILE A 13 -6.175 -1.156 -1.110 1.00 0.00 N ATOM 202 CA ILE A 13 -5.384 -2.399 -0.810 1.00 0.00 C ATOM 203 C ILE A 13 -3.987 -2.011 -0.295 1.00 0.00 C ATOM 204 O ILE A 13 -3.456 -2.656 0.591 1.00 0.00 O ATOM 205 CB ILE A 13 -5.289 -3.192 -2.127 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.706 -3.559 -2.598 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.476 -4.472 -1.905 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.828 -3.350 -4.110 1.00 0.00 C ATOM 0 H ILE A 13 -6.435 -1.028 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.860 -3.004 -0.038 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.795 -2.582 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.923 -4.597 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.441 -2.945 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.412 -5.029 -2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.473 -4.212 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.964 -5.087 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.835 -3.613 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.631 -2.305 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.105 -3.983 -4.624 1.00 0.00 H new ATOM 220 N VAL A 14 -3.394 -0.956 -0.821 1.00 0.00 N ATOM 221 CA VAL A 14 -2.035 -0.544 -0.316 1.00 0.00 C ATOM 222 C VAL A 14 -2.155 -0.120 1.156 1.00 0.00 C ATOM 223 O VAL A 14 -1.325 -0.472 1.973 1.00 0.00 O ATOM 224 CB VAL A 14 -1.578 0.644 -1.184 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.195 1.117 -0.724 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.506 0.207 -2.651 1.00 0.00 C ATOM 0 H VAL A 14 -3.782 -0.373 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.315 -1.360 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.292 1.461 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.126 1.957 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.246 1.430 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.520 0.301 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.183 1.047 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.794 -0.612 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.490 -0.126 -2.980 1.00 0.00 H new ATOM 236 N ALA A 15 -3.188 0.624 1.506 1.00 0.00 N ATOM 237 CA ALA A 15 -3.347 1.048 2.944 1.00 0.00 C ATOM 238 C ALA A 15 -3.465 -0.191 3.851 1.00 0.00 C ATOM 239 O ALA A 15 -2.995 -0.182 4.972 1.00 0.00 O ATOM 240 CB ALA A 15 -4.635 1.884 3.022 1.00 0.00 C ATOM 0 H ALA A 15 -3.916 0.951 0.871 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.485 1.625 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.793 2.215 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.545 2.753 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.482 1.278 2.702 1.00 0.00 H new ATOM 246 N GLU A 16 -4.089 -1.260 3.382 1.00 0.00 N ATOM 247 CA GLU A 16 -4.220 -2.492 4.246 1.00 0.00 C ATOM 248 C GLU A 16 -2.835 -2.957 4.728 1.00 0.00 C ATOM 249 O GLU A 16 -2.685 -3.390 5.856 1.00 0.00 O ATOM 250 CB GLU A 16 -4.859 -3.580 3.369 1.00 0.00 C ATOM 251 CG GLU A 16 -5.122 -4.829 4.211 1.00 0.00 C ATOM 252 CD GLU A 16 -5.118 -6.064 3.308 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.331 -6.090 2.377 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.903 -6.963 3.563 1.00 0.00 O ATOM 0 H GLU A 16 -4.506 -1.332 2.454 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.827 -2.285 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.792 -3.215 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.200 -3.823 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.359 -4.927 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.081 -4.741 4.721 1.00 0.00 H new ATOM 261 N LYS A 17 -1.821 -2.865 3.890 1.00 0.00 N ATOM 262 CA LYS A 17 -0.452 -3.303 4.333 1.00 0.00 C ATOM 263 C LYS A 17 0.204 -2.188 5.158 1.00 0.00 C ATOM 264 O LYS A 17 0.744 -2.437 6.219 1.00 0.00 O ATOM 265 CB LYS A 17 0.359 -3.575 3.057 1.00 0.00 C ATOM 266 CG LYS A 17 1.411 -4.653 3.334 1.00 0.00 C ATOM 267 CD LYS A 17 0.903 -6.010 2.835 1.00 0.00 C ATOM 268 CE LYS A 17 0.260 -6.779 3.995 1.00 0.00 C ATOM 269 NZ LYS A 17 1.282 -7.783 4.404 1.00 0.00 N ATOM 0 H LYS A 17 -1.880 -2.512 2.935 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.500 -4.196 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.304 -3.898 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.843 -2.659 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.347 -4.398 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.622 -4.703 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.177 -5.866 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.728 -6.587 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.009 -6.112 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.666 -7.262 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.950 -8.292 5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.434 -8.460 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.177 -7.299 4.621 1.00 0.00 H new ATOM 283 N LEU A 18 0.154 -0.956 4.691 1.00 0.00 N ATOM 284 CA LEU A 18 0.776 0.163 5.483 1.00 0.00 C ATOM 285 C LEU A 18 0.039 0.304 6.820 1.00 0.00 C ATOM 286 O LEU A 18 0.645 0.246 7.874 1.00 0.00 O ATOM 287 CB LEU A 18 0.601 1.441 4.652 1.00 0.00 C ATOM 288 CG LEU A 18 1.412 1.328 3.367 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.786 2.218 2.295 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.850 1.777 3.638 1.00 0.00 C ATOM 0 H LEU A 18 -0.283 -0.680 3.811 1.00 0.00 H new ATOM 0 HA LEU A 18 1.830 -0.027 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.452 1.593 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.928 2.308 5.226 1.00 0.00 H new ATOM 0 HG LEU A 18 1.415 0.295 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.364 2.140 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.239 1.897 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.786 3.253 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.435 1.698 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.850 2.812 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.291 1.141 4.406 1.00 0.00 H new ATOM 302 N ALA A 19 -1.267 0.468 6.786 1.00 0.00 N ATOM 303 CA ALA A 19 -2.033 0.589 8.075 1.00 0.00 C ATOM 304 C ALA A 19 -1.872 -0.702 8.903 1.00 0.00 C ATOM 305 O ALA A 19 -1.920 -0.665 10.119 1.00 0.00 O ATOM 306 CB ALA A 19 -3.512 0.793 7.701 1.00 0.00 C ATOM 0 H ALA A 19 -1.828 0.523 5.936 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.664 1.423 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.107 0.886 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.615 1.700 7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.863 -0.062 7.123 1.00 0.00 H new ATOM 312 N GLY A 20 -1.682 -1.846 8.262 1.00 0.00 N ATOM 313 CA GLY A 20 -1.524 -3.117 9.028 1.00 0.00 C ATOM 314 C GLY A 20 -0.148 -3.157 9.711 1.00 0.00 C ATOM 315 O GLY A 20 -0.028 -3.643 10.821 1.00 0.00 O ATOM 0 H GLY A 20 -1.632 -1.942 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.312 -3.200 9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.630 -3.970 8.358 1.00 0.00 H new ATOM 319 N ILE A 21 0.897 -2.661 9.068 1.00 0.00 N ATOM 320 CA ILE A 21 2.261 -2.698 9.723 1.00 0.00 C ATOM 321 C ILE A 21 2.194 -2.039 11.123 1.00 0.00 C ATOM 322 O ILE A 21 1.661 -0.955 11.259 1.00 0.00 O ATOM 323 CB ILE A 21 3.214 -1.918 8.788 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.371 -2.693 7.474 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.593 -1.757 9.440 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.548 -1.717 6.305 1.00 0.00 C ATOM 0 H ILE A 21 0.868 -2.241 8.139 1.00 0.00 H new ATOM 0 HA ILE A 21 2.612 -3.720 9.866 1.00 0.00 H new ATOM 0 HB ILE A 21 2.794 -0.930 8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.232 -3.359 7.536 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.495 -3.320 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.251 -1.206 8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.491 -1.210 10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.019 -2.741 9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.659 -2.277 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.674 -1.070 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.438 -1.109 6.470 1.00 0.00 H new ATOM 338 N PRO A 22 2.733 -2.711 12.124 1.00 0.00 N ATOM 339 CA PRO A 22 2.707 -2.155 13.506 1.00 0.00 C ATOM 340 C PRO A 22 3.624 -0.922 13.648 1.00 0.00 C ATOM 341 O PRO A 22 3.421 -0.110 14.533 1.00 0.00 O ATOM 342 CB PRO A 22 3.212 -3.309 14.371 1.00 0.00 C ATOM 343 CG PRO A 22 4.027 -4.153 13.448 1.00 0.00 C ATOM 344 CD PRO A 22 3.406 -4.022 12.083 1.00 0.00 C ATOM 0 HA PRO A 22 1.714 -1.808 13.790 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.811 -2.944 15.205 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.384 -3.876 14.797 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.065 -3.821 13.435 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.029 -5.193 13.774 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.159 -4.060 11.296 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.699 -4.828 11.887 1.00 0.00 H new ATOM 415 N ASP A 27 2.145 9.219 8.418 1.00 0.00 N ATOM 416 CA ASP A 27 2.436 9.147 6.948 1.00 0.00 C ATOM 417 C ASP A 27 1.986 7.793 6.369 1.00 0.00 C ATOM 418 O ASP A 27 2.701 7.177 5.605 1.00 0.00 O ATOM 419 CB ASP A 27 3.955 9.306 6.823 1.00 0.00 C ATOM 420 CG ASP A 27 4.325 10.786 6.943 1.00 0.00 C ATOM 421 OD1 ASP A 27 4.502 11.243 8.061 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.423 11.437 5.916 1.00 0.00 O ATOM 0 HA ASP A 27 1.901 9.918 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.457 8.731 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.295 8.912 5.865 1.00 0.00 H new ATOM 427 N ILE A 28 0.809 7.323 6.733 1.00 0.00 N ATOM 428 CA ILE A 28 0.333 6.003 6.196 1.00 0.00 C ATOM 429 C ILE A 28 -0.688 6.198 5.051 1.00 0.00 C ATOM 430 O ILE A 28 -0.749 5.392 4.142 1.00 0.00 O ATOM 431 CB ILE A 28 -0.262 5.256 7.417 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.406 3.754 7.114 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.623 5.840 7.825 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.439 3.505 6.004 1.00 0.00 C ATOM 0 H ILE A 28 0.166 7.791 7.371 1.00 0.00 H new ATOM 0 HA ILE A 28 1.140 5.423 5.747 1.00 0.00 H new ATOM 0 HB ILE A 28 0.428 5.388 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.559 3.347 6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.707 3.225 8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.011 5.293 8.684 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.504 6.891 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.321 5.751 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.517 2.435 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.410 3.890 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.124 4.014 5.093 1.00 0.00 H new ATOM 446 N LYS A 29 -1.469 7.255 5.064 1.00 0.00 N ATOM 447 CA LYS A 29 -2.438 7.464 3.934 1.00 0.00 C ATOM 448 C LYS A 29 -1.720 8.197 2.793 1.00 0.00 C ATOM 449 O LYS A 29 -1.944 7.907 1.633 1.00 0.00 O ATOM 450 CB LYS A 29 -3.591 8.314 4.491 1.00 0.00 C ATOM 451 CG LYS A 29 -4.664 8.485 3.413 1.00 0.00 C ATOM 452 CD LYS A 29 -5.643 9.582 3.838 1.00 0.00 C ATOM 453 CE LYS A 29 -5.155 10.933 3.309 1.00 0.00 C ATOM 454 NZ LYS A 29 -5.782 11.944 4.205 1.00 0.00 N ATOM 0 H LYS A 29 -1.480 7.970 5.792 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.821 6.522 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.018 7.835 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.219 9.289 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.201 8.745 2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.196 7.546 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.639 9.366 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.723 9.612 4.925 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.067 10.999 3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.456 11.083 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.495 12.898 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.817 11.861 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.472 11.780 5.184 1.00 0.00 H new ATOM 468 N TYR A 30 -0.834 9.124 3.107 1.00 0.00 N ATOM 469 CA TYR A 30 -0.089 9.837 2.015 1.00 0.00 C ATOM 470 C TYR A 30 0.976 8.909 1.403 1.00 0.00 C ATOM 471 O TYR A 30 1.326 9.058 0.247 1.00 0.00 O ATOM 472 CB TYR A 30 0.574 11.066 2.656 1.00 0.00 C ATOM 473 CG TYR A 30 -0.492 12.009 3.159 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.315 12.683 2.249 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.660 12.208 4.534 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.305 13.557 2.714 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.649 13.083 5.000 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.471 13.757 4.090 1.00 0.00 C ATOM 479 OH TYR A 30 -3.447 14.618 4.549 1.00 0.00 O ATOM 0 H TYR A 30 -0.599 9.412 4.057 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.763 10.135 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.219 10.757 3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.208 11.572 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.186 12.529 1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.026 11.686 5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.940 14.077 2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.777 13.238 6.061 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.429 14.641 5.529 1.00 0.00 H new ATOM 489 N VAL A 31 1.498 7.946 2.152 1.00 0.00 N ATOM 490 CA VAL A 31 2.532 7.032 1.552 1.00 0.00 C ATOM 491 C VAL A 31 1.870 6.066 0.548 1.00 0.00 C ATOM 492 O VAL A 31 2.464 5.719 -0.457 1.00 0.00 O ATOM 493 CB VAL A 31 3.208 6.278 2.728 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.280 5.196 3.293 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.516 5.633 2.241 1.00 0.00 C ATOM 0 H VAL A 31 1.257 7.761 3.126 1.00 0.00 H new ATOM 0 HA VAL A 31 3.284 7.590 0.994 1.00 0.00 H new ATOM 0 HB VAL A 31 3.421 6.995 3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.778 4.683 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.362 5.658 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.040 4.477 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.990 5.104 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.298 4.930 1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.189 6.408 1.873 1.00 0.00 H new ATOM 505 N ALA A 32 0.645 5.639 0.797 1.00 0.00 N ATOM 506 CA ALA A 32 -0.026 4.707 -0.182 1.00 0.00 C ATOM 507 C ALA A 32 -0.264 5.436 -1.513 1.00 0.00 C ATOM 508 O ALA A 32 -0.122 4.854 -2.572 1.00 0.00 O ATOM 509 CB ALA A 32 -1.366 4.289 0.444 1.00 0.00 C ATOM 0 H ALA A 32 0.091 5.888 1.616 1.00 0.00 H new ATOM 0 HA ALA A 32 0.594 3.834 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.888 3.612 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.183 3.785 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.979 5.174 0.616 1.00 0.00 H new ATOM 515 N GLU A 33 -0.619 6.709 -1.476 1.00 0.00 N ATOM 516 CA GLU A 33 -0.852 7.455 -2.767 1.00 0.00 C ATOM 517 C GLU A 33 0.429 7.438 -3.608 1.00 0.00 C ATOM 518 O GLU A 33 0.394 7.144 -4.789 1.00 0.00 O ATOM 519 CB GLU A 33 -1.225 8.898 -2.390 1.00 0.00 C ATOM 520 CG GLU A 33 -2.727 8.980 -2.109 1.00 0.00 C ATOM 521 CD GLU A 33 -3.033 10.267 -1.340 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.264 10.601 -0.452 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.030 10.895 -1.651 1.00 0.00 O ATOM 0 H GLU A 33 -0.755 7.254 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.647 6.994 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.662 9.213 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.958 9.577 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.284 8.962 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.047 8.113 -1.531 1.00 0.00 H new ATOM 530 N TYR A 34 1.564 7.725 -3.007 1.00 0.00 N ATOM 531 CA TYR A 34 2.849 7.688 -3.794 1.00 0.00 C ATOM 532 C TYR A 34 3.096 6.251 -4.275 1.00 0.00 C ATOM 533 O TYR A 34 3.516 6.032 -5.397 1.00 0.00 O ATOM 534 CB TYR A 34 3.969 8.154 -2.840 1.00 0.00 C ATOM 535 CG TYR A 34 5.338 8.044 -3.497 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.504 8.278 -4.874 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.448 7.715 -2.710 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.776 8.183 -5.452 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.718 7.618 -3.292 1.00 0.00 C ATOM 540 CZ TYR A 34 7.882 7.853 -4.660 1.00 0.00 C ATOM 541 OH TYR A 34 9.134 7.761 -5.230 1.00 0.00 O ATOM 0 H TYR A 34 1.659 7.979 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 34 2.813 8.334 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.789 9.187 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.950 7.552 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.650 8.531 -5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.325 7.536 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.904 8.364 -6.509 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.572 7.361 -2.683 1.00 0.00 H new ATOM 0 HH TYR A 34 9.815 7.764 -4.525 1.00 0.00 H new ATOM 551 N ILE A 35 2.815 5.264 -3.445 1.00 0.00 N ATOM 552 CA ILE A 35 3.016 3.837 -3.882 1.00 0.00 C ATOM 553 C ILE A 35 2.118 3.559 -5.100 1.00 0.00 C ATOM 554 O ILE A 35 2.577 3.055 -6.109 1.00 0.00 O ATOM 555 CB ILE A 35 2.632 2.960 -2.669 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.702 3.133 -1.587 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.550 1.482 -3.066 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.220 2.501 -0.281 1.00 0.00 C ATOM 0 H ILE A 35 2.460 5.383 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 35 4.042 3.625 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 35 1.655 3.271 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.634 2.667 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.911 4.192 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.278 0.886 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.795 1.355 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.518 1.152 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.983 2.626 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.299 2.987 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.033 1.439 -0.438 1.00 0.00 H new ATOM 570 N VAL A 36 0.851 3.916 -5.031 1.00 0.00 N ATOM 571 CA VAL A 36 -0.050 3.696 -6.221 1.00 0.00 C ATOM 572 C VAL A 36 0.481 4.524 -7.403 1.00 0.00 C ATOM 573 O VAL A 36 0.502 4.060 -8.527 1.00 0.00 O ATOM 574 CB VAL A 36 -1.458 4.165 -5.810 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.423 4.031 -6.993 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.958 3.297 -4.652 1.00 0.00 C ATOM 0 H VAL A 36 0.406 4.343 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.080 2.650 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.412 5.210 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.416 4.365 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.070 4.644 -7.822 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.471 2.988 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.955 3.624 -4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.997 2.255 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.278 3.393 -3.805 1.00 0.00 H new ATOM 586 N LEU A 37 0.935 5.742 -7.156 1.00 0.00 N ATOM 587 CA LEU A 37 1.492 6.573 -8.286 1.00 0.00 C ATOM 588 C LEU A 37 2.691 5.831 -8.892 1.00 0.00 C ATOM 589 O LEU A 37 2.812 5.721 -10.098 1.00 0.00 O ATOM 590 CB LEU A 37 1.949 7.911 -7.682 1.00 0.00 C ATOM 591 CG LEU A 37 1.777 9.030 -8.717 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.479 9.790 -8.440 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.961 9.998 -8.627 1.00 0.00 C ATOM 0 H LEU A 37 0.944 6.188 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 37 0.751 6.744 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.366 8.136 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.992 7.845 -7.374 1.00 0.00 H new ATOM 0 HG LEU A 37 1.737 8.594 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.358 10.585 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.365 9.104 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.518 10.224 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.838 10.793 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.001 10.432 -7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.887 9.459 -8.826 1.00 0.00 H new ATOM 605 N LEU A 38 3.566 5.289 -8.059 1.00 0.00 N ATOM 606 CA LEU A 38 4.736 4.518 -8.611 1.00 0.00 C ATOM 607 C LEU A 38 4.197 3.308 -9.391 1.00 0.00 C ATOM 608 O LEU A 38 4.659 2.999 -10.470 1.00 0.00 O ATOM 609 CB LEU A 38 5.569 4.038 -7.411 1.00 0.00 C ATOM 610 CG LEU A 38 6.136 5.241 -6.657 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.325 4.874 -5.183 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.487 5.629 -7.262 1.00 0.00 C ATOM 0 H LEU A 38 3.520 5.347 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 38 5.346 5.129 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.950 3.438 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.381 3.397 -7.754 1.00 0.00 H new ATOM 0 HG LEU A 38 5.446 6.081 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.729 5.731 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.364 4.594 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.017 4.035 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.893 6.487 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.177 4.789 -7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.354 5.888 -8.313 1.00 0.00 H new ATOM 624 N ILE A 39 3.202 2.634 -8.851 1.00 0.00 N ATOM 625 CA ILE A 39 2.607 1.451 -9.573 1.00 0.00 C ATOM 626 C ILE A 39 1.982 1.928 -10.897 1.00 0.00 C ATOM 627 O ILE A 39 2.117 1.279 -11.917 1.00 0.00 O ATOM 628 CB ILE A 39 1.523 0.882 -8.624 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.198 0.287 -7.372 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.673 -0.187 -9.332 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.950 -1.004 -7.721 1.00 0.00 C ATOM 0 H ILE A 39 2.778 2.848 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 39 3.350 0.691 -9.815 1.00 0.00 H new ATOM 0 HB ILE A 39 0.858 1.693 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.891 1.013 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.446 0.081 -6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.080 -0.569 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.181 0.255 -10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.315 -1.005 -9.658 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.418 -1.406 -6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.249 -1.736 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.717 -0.789 -8.465 1.00 0.00 H new ATOM 643 N VAL A 40 1.305 3.055 -10.887 1.00 0.00 N ATOM 644 CA VAL A 40 0.679 3.564 -12.160 1.00 0.00 C ATOM 645 C VAL A 40 1.748 4.099 -13.134 1.00 0.00 C ATOM 646 O VAL A 40 1.496 4.203 -14.320 1.00 0.00 O ATOM 647 CB VAL A 40 -0.280 4.701 -11.757 1.00 0.00 C ATOM 648 CG1 VAL A 40 -1.020 5.212 -12.996 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.298 4.183 -10.732 1.00 0.00 C ATOM 0 H VAL A 40 1.158 3.640 -10.065 1.00 0.00 H new ATOM 0 HA VAL A 40 0.154 2.758 -12.672 1.00 0.00 H new ATOM 0 HB VAL A 40 0.295 5.515 -11.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.698 6.016 -12.709 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.298 5.587 -13.722 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.591 4.397 -13.440 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.974 4.991 -10.450 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.872 3.366 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.773 3.824 -9.847 1.00 0.00 H new ATOM 659 N ASN A 41 2.935 4.445 -12.663 1.00 0.00 N ATOM 660 CA ASN A 41 3.979 4.971 -13.595 1.00 0.00 C ATOM 661 C ASN A 41 5.296 4.180 -13.471 1.00 0.00 C ATOM 662 O ASN A 41 6.344 4.683 -13.836 1.00 0.00 O ATOM 663 CB ASN A 41 4.203 6.425 -13.162 1.00 0.00 C ATOM 664 CG ASN A 41 2.879 7.203 -13.214 1.00 0.00 C ATOM 665 OD1 ASN A 41 2.342 7.431 -14.280 1.00 0.00 O ATOM 666 ND2 ASN A 41 2.324 7.621 -12.102 1.00 0.00 N ATOM 0 H ASN A 41 3.215 4.384 -11.684 1.00 0.00 H new ATOM 0 HA ASN A 41 3.661 4.883 -14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.610 6.453 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.937 6.898 -13.815 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.444 8.136 -12.133 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.772 7.431 -11.206 1.00 0.00 H new ATOM 673 N GLY A 42 5.274 2.957 -12.967 1.00 0.00 N ATOM 674 CA GLY A 42 6.555 2.187 -12.847 1.00 0.00 C ATOM 675 C GLY A 42 6.316 0.871 -12.092 1.00 0.00 C ATOM 676 O GLY A 42 6.794 0.696 -10.988 1.00 0.00 O ATOM 0 H GLY A 42 4.438 2.472 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.956 1.978 -13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.299 2.786 -12.322 1.00 0.00 H new ATOM 680 N GLY A 43 5.572 -0.048 -12.671 1.00 0.00 N ATOM 681 CA GLY A 43 5.302 -1.343 -11.978 1.00 0.00 C ATOM 682 C GLY A 43 6.595 -2.171 -11.886 1.00 0.00 C ATOM 683 O GLY A 43 6.747 -3.171 -12.561 1.00 0.00 O ATOM 0 H GLY A 43 5.143 0.047 -13.592 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.909 -1.155 -10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.540 -1.903 -12.520 1.00 0.00 H new ATOM 687 N THR A 44 7.518 -1.770 -11.038 1.00 0.00 N ATOM 688 CA THR A 44 8.791 -2.538 -10.876 1.00 0.00 C ATOM 689 C THR A 44 9.203 -2.502 -9.396 1.00 0.00 C ATOM 690 O THR A 44 9.652 -1.485 -8.905 1.00 0.00 O ATOM 691 CB THR A 44 9.832 -1.828 -11.756 1.00 0.00 C ATOM 692 OG1 THR A 44 10.061 -0.500 -11.275 1.00 0.00 O ATOM 693 CG2 THR A 44 9.342 -1.796 -13.213 1.00 0.00 C ATOM 0 H THR A 44 7.440 -0.940 -10.451 1.00 0.00 H new ATOM 0 HA THR A 44 8.692 -3.583 -11.171 1.00 0.00 H new ATOM 0 HB THR A 44 10.773 -2.376 -11.712 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.748 -0.429 -10.349 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.082 -1.292 -13.835 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.200 -2.815 -13.572 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.396 -1.258 -13.267 1.00 0.00 H new ATOM 701 N VAL A 45 9.013 -3.591 -8.669 1.00 0.00 N ATOM 702 CA VAL A 45 9.359 -3.596 -7.193 1.00 0.00 C ATOM 703 C VAL A 45 10.752 -2.981 -6.937 1.00 0.00 C ATOM 704 O VAL A 45 10.957 -2.326 -5.934 1.00 0.00 O ATOM 705 CB VAL A 45 9.316 -5.069 -6.726 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.726 -5.166 -5.250 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.889 -5.610 -6.877 1.00 0.00 C ATOM 0 H VAL A 45 8.637 -4.469 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 45 8.647 -2.988 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 45 10.006 -5.652 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.692 -6.208 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.739 -4.781 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.039 -4.578 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.857 -6.649 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.208 -5.015 -6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.586 -5.551 -7.922 1.00 0.00 H new ATOM 717 N GLU A 46 11.699 -3.167 -7.829 1.00 0.00 N ATOM 718 CA GLU A 46 13.055 -2.558 -7.591 1.00 0.00 C ATOM 719 C GLU A 46 12.956 -1.032 -7.702 1.00 0.00 C ATOM 720 O GLU A 46 13.433 -0.318 -6.840 1.00 0.00 O ATOM 721 CB GLU A 46 13.998 -3.121 -8.666 1.00 0.00 C ATOM 722 CG GLU A 46 15.449 -2.966 -8.205 1.00 0.00 C ATOM 723 CD GLU A 46 16.308 -4.056 -8.848 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.126 -4.309 -10.027 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.135 -4.619 -8.150 1.00 0.00 O ATOM 0 H GLU A 46 11.599 -3.701 -8.693 1.00 0.00 H new ATOM 0 HA GLU A 46 13.431 -2.798 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.773 -4.172 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.847 -2.595 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.826 -1.981 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.506 -3.037 -7.119 1.00 0.00 H new ATOM 732 N SER A 47 12.323 -0.522 -8.738 1.00 0.00 N ATOM 733 CA SER A 47 12.186 0.972 -8.856 1.00 0.00 C ATOM 734 C SER A 47 11.139 1.472 -7.848 1.00 0.00 C ATOM 735 O SER A 47 11.280 2.546 -7.292 1.00 0.00 O ATOM 736 CB SER A 47 11.736 1.271 -10.293 1.00 0.00 C ATOM 737 OG SER A 47 12.305 2.503 -10.716 1.00 0.00 O ATOM 0 H SER A 47 11.903 -1.063 -9.494 1.00 0.00 H new ATOM 0 HA SER A 47 13.128 1.476 -8.641 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.047 0.466 -10.959 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.648 1.323 -10.342 1.00 0.00 H new ATOM 0 HG SER A 47 11.981 3.227 -10.141 1.00 0.00 H new ATOM 743 N VAL A 48 10.096 0.701 -7.592 1.00 0.00 N ATOM 744 CA VAL A 48 9.064 1.157 -6.597 1.00 0.00 C ATOM 745 C VAL A 48 9.628 1.053 -5.169 1.00 0.00 C ATOM 746 O VAL A 48 9.322 1.881 -4.330 1.00 0.00 O ATOM 747 CB VAL A 48 7.833 0.244 -6.773 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.738 0.659 -5.787 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.297 0.381 -8.202 1.00 0.00 C ATOM 0 H VAL A 48 9.919 -0.207 -8.022 1.00 0.00 H new ATOM 0 HA VAL A 48 8.789 2.199 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 48 8.123 -0.790 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.870 0.012 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.113 0.568 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.451 1.693 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.427 -0.264 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.011 1.417 -8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.071 0.088 -8.911 1.00 0.00 H new ATOM 759 N VAL A 49 10.464 0.071 -4.882 1.00 0.00 N ATOM 760 CA VAL A 49 11.044 -0.015 -3.494 1.00 0.00 C ATOM 761 C VAL A 49 12.163 1.033 -3.355 1.00 0.00 C ATOM 762 O VAL A 49 12.309 1.648 -2.314 1.00 0.00 O ATOM 763 CB VAL A 49 11.582 -1.451 -3.320 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.371 -1.571 -2.010 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.405 -2.428 -3.277 1.00 0.00 C ATOM 0 H VAL A 49 10.763 -0.657 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 49 10.302 0.192 -2.723 1.00 0.00 H new ATOM 0 HB VAL A 49 12.239 -1.684 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.744 -2.590 -1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.211 -0.877 -2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.719 -1.332 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.780 -3.444 -3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.755 -2.177 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.841 -2.359 -4.207 1.00 0.00 H new ATOM 775 N ASP A 50 12.942 1.258 -4.396 1.00 0.00 N ATOM 776 CA ASP A 50 14.031 2.294 -4.298 1.00 0.00 C ATOM 777 C ASP A 50 13.411 3.698 -4.207 1.00 0.00 C ATOM 778 O ASP A 50 13.919 4.552 -3.502 1.00 0.00 O ATOM 779 CB ASP A 50 14.884 2.168 -5.570 1.00 0.00 C ATOM 780 CG ASP A 50 15.817 0.962 -5.441 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.343 -0.089 -5.040 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.989 1.110 -5.746 1.00 0.00 O ATOM 0 H ASP A 50 12.873 0.778 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 50 14.641 2.141 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.241 2.052 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.466 3.077 -5.722 1.00 0.00 H new ATOM 787 N GLU A 51 12.314 3.948 -4.898 1.00 0.00 N ATOM 788 CA GLU A 51 11.681 5.315 -4.812 1.00 0.00 C ATOM 789 C GLU A 51 11.032 5.487 -3.431 1.00 0.00 C ATOM 790 O GLU A 51 11.146 6.532 -2.818 1.00 0.00 O ATOM 791 CB GLU A 51 10.613 5.407 -5.926 1.00 0.00 C ATOM 792 CG GLU A 51 11.048 6.439 -6.972 1.00 0.00 C ATOM 793 CD GLU A 51 10.657 5.952 -8.370 1.00 0.00 C ATOM 794 OE1 GLU A 51 11.306 5.043 -8.861 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.716 6.495 -8.923 1.00 0.00 O ATOM 0 H GLU A 51 11.838 3.281 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 51 12.424 6.102 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.478 4.433 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.651 5.691 -5.499 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.577 7.400 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.126 6.594 -6.918 1.00 0.00 H new ATOM 802 N LEU A 52 10.371 4.465 -2.927 1.00 0.00 N ATOM 803 CA LEU A 52 9.743 4.589 -1.567 1.00 0.00 C ATOM 804 C LEU A 52 10.845 4.610 -0.502 1.00 0.00 C ATOM 805 O LEU A 52 10.759 5.344 0.461 1.00 0.00 O ATOM 806 CB LEU A 52 8.833 3.366 -1.376 1.00 0.00 C ATOM 807 CG LEU A 52 7.658 3.448 -2.351 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.001 2.072 -2.477 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.631 4.455 -1.827 1.00 0.00 C ATOM 0 H LEU A 52 10.241 3.565 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 52 9.164 5.508 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.397 2.449 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.466 3.329 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 52 8.019 3.769 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.163 2.131 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.731 1.353 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.640 1.750 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.793 4.514 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.271 4.132 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.097 5.436 -1.736 1.00 0.00 H new ATOM 821 N ALA A 53 11.893 3.826 -0.672 1.00 0.00 N ATOM 822 CA ALA A 53 13.002 3.842 0.346 1.00 0.00 C ATOM 823 C ALA A 53 13.673 5.225 0.356 1.00 0.00 C ATOM 824 O ALA A 53 14.036 5.730 1.401 1.00 0.00 O ATOM 825 CB ALA A 53 14.012 2.762 -0.074 1.00 0.00 C ATOM 0 H ALA A 53 12.027 3.188 -1.456 1.00 0.00 H new ATOM 0 HA ALA A 53 12.623 3.644 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.836 2.738 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.519 1.790 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.398 2.991 -1.067 1.00 0.00 H new ATOM 831 N SER A 54 13.834 5.848 -0.798 1.00 0.00 N ATOM 832 CA SER A 54 14.480 7.212 -0.824 1.00 0.00 C ATOM 833 C SER A 54 13.681 8.196 0.048 1.00 0.00 C ATOM 834 O SER A 54 14.253 9.050 0.701 1.00 0.00 O ATOM 835 CB SER A 54 14.473 7.680 -2.288 1.00 0.00 C ATOM 836 OG SER A 54 15.515 8.626 -2.483 1.00 0.00 O ATOM 0 H SER A 54 13.552 5.480 -1.707 1.00 0.00 H new ATOM 0 HA SER A 54 15.496 7.169 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.610 6.829 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.510 8.127 -2.535 1.00 0.00 H new ATOM 0 HG SER A 54 15.515 8.925 -3.416 1.00 0.00 H new ATOM 842 N LEU A 55 12.367 8.085 0.073 1.00 0.00 N ATOM 843 CA LEU A 55 11.554 9.024 0.921 1.00 0.00 C ATOM 844 C LEU A 55 11.270 8.381 2.288 1.00 0.00 C ATOM 845 O LEU A 55 11.346 9.035 3.311 1.00 0.00 O ATOM 846 CB LEU A 55 10.245 9.265 0.158 1.00 0.00 C ATOM 847 CG LEU A 55 10.443 10.397 -0.850 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.265 10.423 -1.826 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.517 11.733 -0.107 1.00 0.00 C ATOM 0 H LEU A 55 11.829 7.394 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 55 12.080 9.961 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.939 8.354 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.447 9.520 0.855 1.00 0.00 H new ATOM 0 HG LEU A 55 11.369 10.234 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.406 11.230 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.210 9.472 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.339 10.586 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.658 12.541 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.590 11.895 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.355 11.716 0.590 1.00 0.00 H new ATOM 861 N PHE A 56 10.954 7.106 2.314 1.00 0.00 N ATOM 862 CA PHE A 56 10.679 6.422 3.614 1.00 0.00 C ATOM 863 C PHE A 56 11.835 5.465 3.942 1.00 0.00 C ATOM 864 O PHE A 56 11.698 4.261 3.833 1.00 0.00 O ATOM 865 CB PHE A 56 9.374 5.640 3.406 1.00 0.00 C ATOM 866 CG PHE A 56 8.267 6.588 3.011 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.758 7.501 3.943 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.751 6.556 1.709 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.734 8.381 3.573 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.726 7.435 1.341 1.00 0.00 C ATOM 871 CZ PHE A 56 6.218 8.347 2.272 1.00 0.00 C ATOM 0 H PHE A 56 10.875 6.512 1.489 1.00 0.00 H new ATOM 0 HA PHE A 56 10.589 7.126 4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.511 4.884 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.105 5.113 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.155 7.526 4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.144 5.853 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.342 9.086 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.327 7.409 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.427 9.025 1.987 1.00 0.00 H new ATOM 881 N ASP A 57 12.976 5.988 4.348 1.00 0.00 N ATOM 882 CA ASP A 57 14.130 5.093 4.683 1.00 0.00 C ATOM 883 C ASP A 57 14.282 4.949 6.210 1.00 0.00 C ATOM 884 O ASP A 57 15.374 4.738 6.704 1.00 0.00 O ATOM 885 CB ASP A 57 15.368 5.769 4.084 1.00 0.00 C ATOM 886 CG ASP A 57 16.325 4.701 3.550 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.883 3.876 2.768 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.483 4.727 3.932 1.00 0.00 O ATOM 0 H ASP A 57 13.153 6.986 4.460 1.00 0.00 H new ATOM 0 HA ASP A 57 13.985 4.089 4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.074 6.444 3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.867 6.374 4.841 1.00 0.00 H new ATOM 893 N SER A 58 13.201 5.045 6.963 1.00 0.00 N ATOM 894 CA SER A 58 13.314 4.893 8.453 1.00 0.00 C ATOM 895 C SER A 58 12.961 3.453 8.864 1.00 0.00 C ATOM 896 O SER A 58 13.587 2.887 9.741 1.00 0.00 O ATOM 897 CB SER A 58 12.314 5.886 9.057 1.00 0.00 C ATOM 898 OG SER A 58 10.992 5.413 8.842 1.00 0.00 O ATOM 0 H SER A 58 12.259 5.220 6.613 1.00 0.00 H new ATOM 0 HA SER A 58 14.327 5.091 8.803 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.501 6.004 10.124 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.439 6.868 8.601 1.00 0.00 H new ATOM 0 HG SER A 58 10.351 6.046 9.229 1.00 0.00 H new ATOM 904 N VAL A 59 11.972 2.851 8.234 1.00 0.00 N ATOM 905 CA VAL A 59 11.603 1.439 8.596 1.00 0.00 C ATOM 906 C VAL A 59 12.394 0.445 7.729 1.00 0.00 C ATOM 907 O VAL A 59 12.842 0.779 6.649 1.00 0.00 O ATOM 908 CB VAL A 59 10.084 1.307 8.352 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.758 1.446 6.854 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.614 -0.061 8.856 1.00 0.00 C ATOM 0 H VAL A 59 11.411 3.271 7.493 1.00 0.00 H new ATOM 0 HA VAL A 59 11.845 1.215 9.635 1.00 0.00 H new ATOM 0 HB VAL A 59 9.568 2.102 8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.682 1.350 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.087 2.422 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.273 0.664 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.542 -0.162 8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.142 -0.848 8.318 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.823 -0.147 9.922 1.00 0.00 H new ATOM 920 N SER A 60 12.580 -0.773 8.200 1.00 0.00 N ATOM 921 CA SER A 60 13.363 -1.785 7.393 1.00 0.00 C ATOM 922 C SER A 60 12.821 -1.882 5.952 1.00 0.00 C ATOM 923 O SER A 60 11.631 -1.795 5.727 1.00 0.00 O ATOM 924 CB SER A 60 13.192 -3.136 8.103 1.00 0.00 C ATOM 925 OG SER A 60 13.697 -3.037 9.427 1.00 0.00 O ATOM 0 H SER A 60 12.230 -1.110 9.097 1.00 0.00 H new ATOM 0 HA SER A 60 14.411 -1.493 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.140 -3.419 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.722 -3.917 7.557 1.00 0.00 H new ATOM 0 HG SER A 60 13.588 -3.897 9.884 1.00 0.00 H new ATOM 931 N ARG A 61 13.691 -2.067 4.974 1.00 0.00 N ATOM 932 CA ARG A 61 13.217 -2.173 3.542 1.00 0.00 C ATOM 933 C ARG A 61 12.115 -3.239 3.411 1.00 0.00 C ATOM 934 O ARG A 61 11.205 -3.094 2.617 1.00 0.00 O ATOM 935 CB ARG A 61 14.437 -2.579 2.699 1.00 0.00 C ATOM 936 CG ARG A 61 15.108 -1.325 2.136 1.00 0.00 C ATOM 937 CD ARG A 61 16.220 -0.869 3.085 1.00 0.00 C ATOM 938 NE ARG A 61 16.744 0.389 2.487 1.00 0.00 N ATOM 939 CZ ARG A 61 18.012 0.494 2.197 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.588 -0.407 1.450 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.705 1.502 2.654 1.00 0.00 N ATOM 0 H ARG A 61 14.700 -2.149 5.103 1.00 0.00 H new ATOM 0 HA ARG A 61 12.799 -1.224 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.144 -3.140 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.128 -3.236 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.521 -1.533 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.372 -0.530 2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.835 -0.698 4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.003 -1.623 3.167 1.00 0.00 H new ATOM 0 HE ARG A 61 16.112 1.169 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.047 -1.194 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.579 -0.324 1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.255 2.207 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.696 1.584 2.427 1.00 0.00 H new ATOM 955 N ASP A 62 12.185 -4.308 4.180 1.00 0.00 N ATOM 956 CA ASP A 62 11.120 -5.375 4.078 1.00 0.00 C ATOM 957 C ASP A 62 9.727 -4.766 4.307 1.00 0.00 C ATOM 958 O ASP A 62 8.766 -5.168 3.677 1.00 0.00 O ATOM 959 CB ASP A 62 11.428 -6.416 5.166 1.00 0.00 C ATOM 960 CG ASP A 62 10.857 -7.773 4.750 1.00 0.00 C ATOM 961 OD1 ASP A 62 9.646 -7.878 4.649 1.00 0.00 O ATOM 962 OD2 ASP A 62 11.641 -8.684 4.541 1.00 0.00 O ATOM 0 H ASP A 62 12.920 -4.489 4.864 1.00 0.00 H new ATOM 0 HA ASP A 62 11.121 -5.830 3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.505 -6.493 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.995 -6.103 6.116 1.00 0.00 H new ATOM 967 N THR A 63 9.606 -3.799 5.195 1.00 0.00 N ATOM 968 CA THR A 63 8.255 -3.177 5.434 1.00 0.00 C ATOM 969 C THR A 63 7.819 -2.407 4.179 1.00 0.00 C ATOM 970 O THR A 63 6.677 -2.492 3.765 1.00 0.00 O ATOM 971 CB THR A 63 8.407 -2.222 6.636 1.00 0.00 C ATOM 972 OG1 THR A 63 8.769 -2.973 7.791 1.00 0.00 O ATOM 973 CG2 THR A 63 7.082 -1.500 6.898 1.00 0.00 C ATOM 0 H THR A 63 10.369 -3.419 5.755 1.00 0.00 H new ATOM 0 HA THR A 63 7.497 -3.931 5.644 1.00 0.00 H new ATOM 0 HB THR A 63 9.180 -1.486 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.419 -2.530 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.196 -0.827 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.800 -0.925 6.016 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.305 -2.233 7.117 1.00 0.00 H new ATOM 981 N LEU A 64 8.717 -1.669 3.564 1.00 0.00 N ATOM 982 CA LEU A 64 8.329 -0.913 2.323 1.00 0.00 C ATOM 983 C LEU A 64 8.062 -1.913 1.194 1.00 0.00 C ATOM 984 O LEU A 64 7.086 -1.799 0.475 1.00 0.00 O ATOM 985 CB LEU A 64 9.514 0.001 1.959 1.00 0.00 C ATOM 986 CG LEU A 64 9.849 0.922 3.148 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.285 0.663 3.614 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.718 2.387 2.719 1.00 0.00 C ATOM 0 H LEU A 64 9.687 -1.557 3.860 1.00 0.00 H new ATOM 0 HA LEU A 64 7.428 -0.319 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.384 -0.602 1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.267 0.600 1.082 1.00 0.00 H new ATOM 0 HG LEU A 64 9.156 0.715 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.518 1.316 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.385 -0.377 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.975 0.865 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.956 3.036 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.408 2.589 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.697 2.580 2.389 1.00 0.00 H new ATOM 1000 N ALA A 65 8.911 -2.907 1.043 1.00 0.00 N ATOM 1001 CA ALA A 65 8.677 -3.929 -0.039 1.00 0.00 C ATOM 1002 C ALA A 65 7.343 -4.652 0.211 1.00 0.00 C ATOM 1003 O ALA A 65 6.624 -4.967 -0.719 1.00 0.00 O ATOM 1004 CB ALA A 65 9.844 -4.928 0.029 1.00 0.00 C ATOM 0 H ALA A 65 9.744 -3.056 1.612 1.00 0.00 H new ATOM 0 HA ALA A 65 8.627 -3.460 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.716 -5.690 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.784 -4.401 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.860 -5.402 1.010 1.00 0.00 H new ATOM 1010 N ASN A 66 7.003 -4.918 1.459 1.00 0.00 N ATOM 1011 CA ASN A 66 5.700 -5.623 1.743 1.00 0.00 C ATOM 1012 C ASN A 66 4.522 -4.796 1.204 1.00 0.00 C ATOM 1013 O ASN A 66 3.579 -5.346 0.665 1.00 0.00 O ATOM 1014 CB ASN A 66 5.595 -5.761 3.272 1.00 0.00 C ATOM 1015 CG ASN A 66 4.653 -6.922 3.618 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.644 -6.720 4.262 1.00 0.00 O ATOM 1017 ND2 ASN A 66 4.938 -8.137 3.218 1.00 0.00 N ATOM 0 H ASN A 66 7.560 -4.682 2.280 1.00 0.00 H new ATOM 0 HA ASN A 66 5.669 -6.599 1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.581 -5.939 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.222 -4.834 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.313 -8.909 3.448 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.785 -8.310 2.677 1.00 0.00 H new ATOM 1024 N VAL A 67 4.566 -3.482 1.331 1.00 0.00 N ATOM 1025 CA VAL A 67 3.428 -2.651 0.798 1.00 0.00 C ATOM 1026 C VAL A 67 3.482 -2.626 -0.742 1.00 0.00 C ATOM 1027 O VAL A 67 2.457 -2.663 -1.397 1.00 0.00 O ATOM 1028 CB VAL A 67 3.591 -1.238 1.381 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.466 -0.336 0.867 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.520 -1.310 2.910 1.00 0.00 C ATOM 0 H VAL A 67 5.324 -2.959 1.771 1.00 0.00 H new ATOM 0 HA VAL A 67 2.461 -3.065 1.085 1.00 0.00 H new ATOM 0 HB VAL A 67 4.554 -0.829 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.584 0.665 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.509 -0.285 -0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.503 -0.745 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.635 -0.310 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.556 -1.720 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.319 -1.952 3.281 1.00 0.00 H new ATOM 1040 N VAL A 68 4.662 -2.591 -1.330 1.00 0.00 N ATOM 1041 CA VAL A 68 4.736 -2.606 -2.834 1.00 0.00 C ATOM 1042 C VAL A 68 4.332 -4.006 -3.337 1.00 0.00 C ATOM 1043 O VAL A 68 3.700 -4.135 -4.369 1.00 0.00 O ATOM 1044 CB VAL A 68 6.194 -2.286 -3.215 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.356 -2.336 -4.738 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.552 -0.881 -2.720 1.00 0.00 C ATOM 0 H VAL A 68 5.559 -2.553 -0.846 1.00 0.00 H new ATOM 0 HA VAL A 68 4.064 -1.875 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 68 6.854 -3.022 -2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.389 -2.109 -5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.100 -3.332 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.694 -1.602 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.583 -0.652 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.887 -0.152 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.441 -0.838 -1.637 1.00 0.00 H new ATOM 1056 N GLN A 69 4.683 -5.060 -2.614 1.00 0.00 N ATOM 1057 CA GLN A 69 4.294 -6.439 -3.076 1.00 0.00 C ATOM 1058 C GLN A 69 2.765 -6.568 -3.106 1.00 0.00 C ATOM 1059 O GLN A 69 2.212 -7.137 -4.028 1.00 0.00 O ATOM 1060 CB GLN A 69 4.890 -7.435 -2.066 1.00 0.00 C ATOM 1061 CG GLN A 69 6.365 -7.672 -2.394 1.00 0.00 C ATOM 1062 CD GLN A 69 6.482 -8.766 -3.464 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.699 -8.802 -4.391 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.432 -9.666 -3.378 1.00 0.00 N ATOM 0 H GLN A 69 5.211 -5.023 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 69 4.667 -6.636 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.790 -7.046 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.343 -8.377 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.822 -6.749 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.905 -7.968 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.092 -9.639 -2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.511 -10.393 -4.089 1.00 0.00 H new ATOM 1073 N THR A 70 2.072 -6.039 -2.115 1.00 0.00 N ATOM 1074 CA THR A 70 0.569 -6.145 -2.132 1.00 0.00 C ATOM 1075 C THR A 70 -0.016 -5.274 -3.260 1.00 0.00 C ATOM 1076 O THR A 70 -1.036 -5.615 -3.830 1.00 0.00 O ATOM 1077 CB THR A 70 0.050 -5.698 -0.749 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.362 -5.842 -0.712 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.416 -4.239 -0.478 1.00 0.00 C ATOM 0 H THR A 70 2.470 -5.550 -1.314 1.00 0.00 H new ATOM 0 HA THR A 70 0.257 -7.171 -2.326 1.00 0.00 H new ATOM 0 HB THR A 70 0.513 -6.321 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.697 -5.561 0.165 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.040 -3.946 0.502 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.500 -4.126 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.031 -3.604 -1.243 1.00 0.00 H new ATOM 1087 N ALA A 71 0.626 -4.174 -3.618 1.00 0.00 N ATOM 1088 CA ALA A 71 0.082 -3.338 -4.747 1.00 0.00 C ATOM 1089 C ALA A 71 0.268 -4.106 -6.066 1.00 0.00 C ATOM 1090 O ALA A 71 -0.589 -4.073 -6.928 1.00 0.00 O ATOM 1091 CB ALA A 71 0.886 -2.025 -4.776 1.00 0.00 C ATOM 0 H ALA A 71 1.483 -3.827 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.978 -3.125 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.519 -1.392 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.768 -1.505 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.940 -2.248 -4.940 1.00 0.00 H new ATOM 1097 N PHE A 72 1.374 -4.815 -6.225 1.00 0.00 N ATOM 1098 CA PHE A 72 1.581 -5.598 -7.496 1.00 0.00 C ATOM 1099 C PHE A 72 0.484 -6.665 -7.602 1.00 0.00 C ATOM 1100 O PHE A 72 -0.202 -6.756 -8.603 1.00 0.00 O ATOM 1101 CB PHE A 72 2.962 -6.269 -7.387 1.00 0.00 C ATOM 1102 CG PHE A 72 4.037 -5.327 -7.883 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.105 -4.012 -7.400 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.971 -5.773 -8.825 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.103 -3.149 -7.863 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.968 -4.908 -9.285 1.00 0.00 C ATOM 1107 CZ PHE A 72 6.032 -3.597 -8.804 1.00 0.00 C ATOM 0 H PHE A 72 2.128 -4.884 -5.542 1.00 0.00 H new ATOM 0 HA PHE A 72 1.534 -4.959 -8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.160 -6.546 -6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.975 -7.189 -7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.387 -3.666 -6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.921 -6.786 -9.197 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.155 -2.136 -7.493 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.689 -5.252 -10.012 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.802 -2.929 -9.161 1.00 0.00 H new ATOM 1117 N PHE A 73 0.295 -7.461 -6.566 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.789 -8.505 -6.618 1.00 0.00 C ATOM 1119 C PHE A 73 -2.149 -7.812 -6.802 1.00 0.00 C ATOM 1120 O PHE A 73 -2.994 -8.286 -7.538 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.752 -9.255 -5.277 1.00 0.00 C ATOM 1122 CG PHE A 73 0.305 -10.334 -5.333 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.191 -11.376 -6.260 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.397 -10.290 -4.459 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.171 -12.375 -6.312 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.377 -11.288 -4.511 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.264 -12.331 -5.438 1.00 0.00 C ATOM 0 H PHE A 73 0.835 -7.434 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.641 -9.196 -7.448 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.535 -8.560 -4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.727 -9.696 -5.068 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.652 -11.410 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.484 -9.485 -3.744 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.084 -13.180 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.220 -11.253 -3.836 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.020 -13.101 -5.479 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.365 -6.683 -6.148 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.680 -5.966 -6.314 1.00 0.00 C ATOM 1139 C ALA A 74 -3.892 -5.597 -7.789 1.00 0.00 C ATOM 1140 O ALA A 74 -4.992 -5.693 -8.299 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.607 -4.693 -5.454 1.00 0.00 C ATOM 0 H ALA A 74 -1.699 -6.235 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.513 -6.597 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.542 -4.139 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.446 -4.967 -4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.782 -4.069 -5.797 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.848 -5.180 -8.486 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.026 -4.816 -9.942 1.00 0.00 C ATOM 1149 C LEU A 75 -3.595 -6.018 -10.711 1.00 0.00 C ATOM 1150 O LEU A 75 -4.474 -5.865 -11.540 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.635 -4.445 -10.498 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.461 -2.919 -10.541 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.539 -2.292 -11.434 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.570 -2.346 -9.125 1.00 0.00 C ATOM 0 H LEU A 75 -1.901 -5.078 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.718 -3.981 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.858 -4.888 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.515 -4.859 -11.499 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.478 -2.686 -10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.407 -1.210 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.452 -2.691 -12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.525 -2.529 -11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.446 -1.264 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.549 -2.586 -8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.793 -2.780 -8.496 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.115 -7.211 -10.434 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.662 -8.415 -11.154 1.00 0.00 C ATOM 1168 C GLU A 76 -5.099 -8.677 -10.683 1.00 0.00 C ATOM 1169 O GLU A 76 -5.966 -8.989 -11.478 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.754 -9.603 -10.795 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.569 -9.649 -11.762 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.810 -10.964 -11.577 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.495 -11.290 -10.445 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -0.557 -11.624 -12.572 1.00 0.00 O ATOM 0 H GLU A 76 -2.381 -7.404 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.680 -8.263 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.397 -9.505 -9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.317 -10.535 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.921 -9.562 -12.790 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.904 -8.804 -11.580 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.364 -8.537 -9.399 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.766 -8.766 -8.902 1.00 0.00 C ATOM 1183 C ALA A 77 -7.694 -7.680 -9.465 1.00 0.00 C ATOM 1184 O ALA A 77 -8.814 -7.962 -9.852 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.716 -8.685 -7.367 1.00 0.00 C ATOM 0 H ALA A 77 -4.683 -8.279 -8.685 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.148 -9.735 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.715 -8.846 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.041 -9.451 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.356 -7.701 -7.066 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.239 -6.444 -9.528 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.122 -5.358 -10.087 1.00 0.00 C ATOM 1193 C LEU A 78 -8.457 -5.672 -11.554 1.00 0.00 C ATOM 1194 O LEU A 78 -9.572 -5.461 -11.995 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.336 -4.039 -9.997 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.704 -3.315 -8.702 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -6.747 -2.141 -8.483 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.141 -2.790 -8.803 1.00 0.00 C ATOM 0 H LEU A 78 -6.313 -6.143 -9.223 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.056 -5.287 -9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.265 -4.239 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.563 -3.408 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.627 -4.007 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.010 -1.625 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.725 -2.513 -8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.824 -1.448 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.405 -2.273 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.217 -2.098 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.823 -3.625 -8.959 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.505 -6.179 -12.318 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.800 -6.504 -13.760 1.00 0.00 C ATOM 1212 C GLN A 79 -8.972 -7.500 -13.866 1.00 0.00 C ATOM 1213 O GLN A 79 -9.721 -7.468 -14.825 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.524 -7.132 -14.344 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.531 -6.026 -14.705 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.100 -6.566 -14.597 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.828 -7.674 -15.013 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.162 -5.828 -14.052 1.00 0.00 N ATOM 0 H GLN A 79 -6.553 -6.378 -12.011 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.085 -5.604 -14.305 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.078 -7.814 -13.621 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.767 -7.720 -15.229 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.721 -5.669 -15.717 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.661 -5.174 -14.037 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.385 -4.897 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.210 -6.186 -13.979 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.142 -8.381 -12.898 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.280 -9.364 -12.979 1.00 0.00 C ATOM 1229 C GLN A 80 -11.550 -8.759 -12.368 1.00 0.00 C ATOM 1230 O GLN A 80 -12.624 -8.877 -12.927 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.840 -10.603 -12.185 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.352 -11.864 -12.882 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.412 -12.229 -14.037 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.204 -11.437 -14.934 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.826 -13.403 -14.059 1.00 0.00 N ATOM 0 H GLN A 80 -8.553 -8.461 -12.069 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.508 -9.621 -14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.753 -10.632 -12.109 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.229 -10.553 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.408 -12.688 -12.171 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.361 -11.699 -13.259 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.997 -14.072 -13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.200 -13.646 -14.827 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.442 -8.109 -11.229 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.651 -7.498 -10.599 1.00 0.00 C ATOM 1246 C GLY A 81 -12.699 -7.854 -9.106 1.00 0.00 C ATOM 1247 O GLY A 81 -13.418 -8.750 -8.704 1.00 0.00 O ATOM 0 H GLY A 81 -10.571 -7.978 -10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.628 -6.415 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.552 -7.857 -11.097 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.948 -7.158 -8.277 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.967 -7.461 -6.812 1.00 0.00 C ATOM 1253 C GLU A 82 -12.537 -6.263 -6.037 1.00 0.00 C ATOM 1254 O GLU A 82 -12.811 -5.227 -6.615 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.503 -7.700 -6.433 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.236 -9.204 -6.329 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.033 -9.784 -5.160 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -10.953 -9.225 -4.078 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -11.711 -10.777 -5.366 1.00 0.00 O ATOM 0 H GLU A 82 -11.327 -6.398 -8.554 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.591 -8.323 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.846 -7.255 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.279 -7.215 -5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.519 -9.699 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.171 -9.386 -6.183 1.00 0.00 H new ATOM 1266 N SER A 83 -12.721 -6.387 -4.737 1.00 0.00 N ATOM 1267 CA SER A 83 -13.273 -5.241 -3.950 1.00 0.00 C ATOM 1268 C SER A 83 -12.223 -4.706 -2.966 1.00 0.00 C ATOM 1269 O SER A 83 -11.576 -5.467 -2.272 1.00 0.00 O ATOM 1270 CB SER A 83 -14.469 -5.808 -3.188 1.00 0.00 C ATOM 1271 OG SER A 83 -14.174 -7.134 -2.767 1.00 0.00 O ATOM 0 H SER A 83 -12.513 -7.226 -4.196 1.00 0.00 H new ATOM 0 HA SER A 83 -13.557 -4.410 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.694 -5.182 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.354 -5.805 -3.824 1.00 0.00 H new ATOM 0 HG SER A 83 -14.940 -7.499 -2.276 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.054 -3.403 -2.896 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.045 -2.830 -1.941 1.00 0.00 C ATOM 1279 C ALA A 84 -11.725 -2.367 -0.633 1.00 0.00 C ATOM 1280 O ALA A 84 -11.126 -2.429 0.426 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.406 -1.637 -2.671 1.00 0.00 C ATOM 0 H ALA A 84 -12.565 -2.718 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.300 -3.573 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.659 -1.174 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.929 -1.984 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.176 -0.906 -2.917 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.962 -1.904 -0.685 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.642 -1.443 0.582 1.00 0.00 C ATOM 1289 C GLU A 85 -13.699 -2.583 1.612 1.00 0.00 C ATOM 1290 O GLU A 85 -13.539 -2.356 2.796 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.068 -1.015 0.193 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.768 -0.408 1.410 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.782 0.640 0.946 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.420 1.459 0.117 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.903 0.605 1.427 1.00 0.00 O ATOM 0 H GLU A 85 -13.522 -1.826 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.091 -0.618 1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.032 -0.289 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.630 -1.874 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.271 -1.189 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.035 0.049 2.074 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.926 -3.807 1.178 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.988 -4.952 2.163 1.00 0.00 C ATOM 1304 C ASN A 86 -12.684 -5.028 2.970 1.00 0.00 C ATOM 1305 O ASN A 86 -12.707 -5.288 4.159 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.176 -6.238 1.339 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.507 -6.179 0.576 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.098 -5.124 0.444 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.011 -7.273 0.058 1.00 0.00 N ATOM 0 H ASN A 86 -14.069 -4.063 0.201 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.807 -4.816 2.869 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.350 -6.355 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.162 -7.107 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.894 -7.236 -0.452 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.520 -8.161 0.165 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.550 -4.789 2.344 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.258 -4.841 3.116 1.00 0.00 C ATOM 1318 C ILE A 87 -10.236 -3.714 4.167 1.00 0.00 C ATOM 1319 O ILE A 87 -9.714 -3.894 5.252 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.120 -4.652 2.096 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.181 -5.771 1.048 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.771 -4.709 2.817 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.814 -5.207 -0.328 1.00 0.00 C ATOM 0 H ILE A 87 -11.462 -4.565 1.353 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.146 -5.789 3.642 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.232 -3.685 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.495 -6.574 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.181 -6.203 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.966 -4.575 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.724 -3.916 3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.661 -5.676 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.858 -6.003 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.518 -4.420 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.805 -4.796 -0.296 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.801 -2.557 3.865 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.800 -1.442 4.882 1.00 0.00 C ATOM 1337 C VAL A 88 -11.557 -1.882 6.145 1.00 0.00 C ATOM 1338 O VAL A 88 -11.163 -1.549 7.247 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.498 -0.233 4.229 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.539 0.938 5.218 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.723 0.189 2.976 1.00 0.00 C ATOM 0 H VAL A 88 -11.254 -2.340 2.977 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.783 -1.183 5.178 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.516 -0.511 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.033 1.791 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.091 0.642 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.522 1.215 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.216 1.044 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.705 0.463 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.696 -0.640 2.269 1.00 0.00 H new ATOM 1351 N SER A 89 -12.635 -2.632 6.006 1.00 0.00 N ATOM 1352 CA SER A 89 -13.393 -3.087 7.233 1.00 0.00 C ATOM 1353 C SER A 89 -12.433 -3.815 8.185 1.00 0.00 C ATOM 1354 O SER A 89 -12.466 -3.604 9.384 1.00 0.00 O ATOM 1355 CB SER A 89 -14.492 -4.045 6.750 1.00 0.00 C ATOM 1356 OG SER A 89 -14.897 -4.875 7.830 1.00 0.00 O ATOM 0 H SER A 89 -13.019 -2.945 5.114 1.00 0.00 H new ATOM 0 HA SER A 89 -13.828 -2.243 7.769 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.343 -3.479 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.123 -4.655 5.926 1.00 0.00 H new ATOM 0 HG SER A 89 -15.600 -5.487 7.527 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.558 -4.649 7.659 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.578 -5.358 8.556 1.00 0.00 C ATOM 1364 C LYS A 90 -9.556 -4.350 9.103 1.00 0.00 C ATOM 1365 O LYS A 90 -9.129 -4.459 10.238 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.875 -6.422 7.697 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.502 -7.620 8.572 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.422 -8.880 7.706 1.00 0.00 C ATOM 1369 CE LYS A 90 -8.102 -8.883 6.931 1.00 0.00 C ATOM 1370 NZ LYS A 90 -8.075 -10.194 6.227 1.00 0.00 N ATOM 0 H LYS A 90 -11.480 -4.867 6.666 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.080 -5.821 9.406 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.530 -6.741 6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.981 -6.001 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.545 -7.442 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.244 -7.754 9.359 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.491 -9.770 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.263 -8.912 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.057 -8.054 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.250 -8.777 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.199 -10.272 5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.113 -10.964 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.895 -10.263 5.591 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.170 -3.358 8.321 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.186 -2.346 8.842 1.00 0.00 C ATOM 1386 C ILE A 91 -8.866 -1.471 9.905 1.00 0.00 C ATOM 1387 O ILE A 91 -8.259 -1.122 10.900 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.735 -1.492 7.637 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.068 -2.382 6.575 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.736 -0.430 8.104 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.895 -3.155 7.191 1.00 0.00 C ATOM 0 H ILE A 91 -9.488 -3.208 7.363 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.325 -2.827 9.306 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.610 -1.009 7.202 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.798 -3.080 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.714 -1.769 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.419 0.171 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.209 0.213 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.867 -0.917 8.547 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.432 -3.781 6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.159 -2.451 7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.260 -3.783 8.004 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.121 -1.116 9.711 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.817 -0.265 10.740 1.00 0.00 C ATOM 1405 C ARG A 92 -10.850 -0.991 12.093 1.00 0.00 C ATOM 1406 O ARG A 92 -10.705 -0.370 13.129 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.248 -0.023 10.231 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.750 1.329 10.741 1.00 0.00 C ATOM 1409 CD ARG A 92 -14.275 1.387 10.617 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.785 0.998 11.961 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.335 1.893 12.735 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -16.250 2.693 12.259 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -14.970 1.987 13.983 1.00 0.00 N ATOM 0 H ARG A 92 -10.684 -1.373 8.901 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.292 0.679 10.883 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.266 -0.042 9.141 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.907 -0.820 10.574 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.453 1.471 11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.297 2.137 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.611 2.387 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.635 0.706 9.846 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.704 0.031 12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.535 2.618 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.680 3.393 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.255 1.361 14.354 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.399 2.686 14.589 1.00 0.00 H new ATOM 1427 N MET A 93 -11.026 -2.298 12.100 1.00 0.00 N ATOM 1428 CA MET A 93 -11.047 -3.031 13.415 1.00 0.00 C ATOM 1429 C MET A 93 -9.626 -3.098 13.985 1.00 0.00 C ATOM 1430 O MET A 93 -9.422 -2.908 15.170 1.00 0.00 O ATOM 1431 CB MET A 93 -11.584 -4.444 13.133 1.00 0.00 C ATOM 1432 CG MET A 93 -13.113 -4.418 13.134 1.00 0.00 C ATOM 1433 SD MET A 93 -13.720 -4.654 14.822 1.00 0.00 S ATOM 1434 CE MET A 93 -15.488 -4.588 14.439 1.00 0.00 C ATOM 0 H MET A 93 -11.153 -2.878 11.271 1.00 0.00 H new ATOM 0 HA MET A 93 -11.678 -2.524 14.145 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.216 -4.799 12.170 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.221 -5.140 13.889 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.471 -3.468 12.737 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.501 -5.202 12.484 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.064 -4.715 15.356 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.727 -3.624 13.990 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.739 -5.386 13.740 1.00 0.00 H new ATOM 1444 N MET A 94 -8.637 -3.346 13.152 1.00 0.00 N ATOM 1445 CA MET A 94 -7.225 -3.395 13.671 1.00 0.00 C ATOM 1446 C MET A 94 -6.754 -1.973 14.012 1.00 0.00 C ATOM 1447 O MET A 94 -6.051 -1.772 14.986 1.00 0.00 O ATOM 1448 CB MET A 94 -6.357 -3.995 12.554 1.00 0.00 C ATOM 1449 CG MET A 94 -6.404 -5.522 12.636 1.00 0.00 C ATOM 1450 SD MET A 94 -5.165 -6.224 11.518 1.00 0.00 S ATOM 1451 CE MET A 94 -4.267 -7.193 12.756 1.00 0.00 C ATOM 0 H MET A 94 -8.742 -3.514 12.151 1.00 0.00 H new ATOM 0 HA MET A 94 -7.154 -3.999 14.575 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.716 -3.661 11.581 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.329 -3.646 12.651 1.00 0.00 H new ATOM 0 HG2 MET A 94 -6.213 -5.848 13.658 1.00 0.00 H new ATOM 0 HG3 MET A 94 -7.397 -5.881 12.367 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.442 -7.720 12.277 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.875 -6.527 13.525 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.943 -7.916 13.213 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.143 -0.982 13.234 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.713 0.425 13.556 1.00 0.00 C ATOM 1463 C ASN A 95 -7.411 0.904 14.838 1.00 0.00 C ATOM 1464 O ASN A 95 -6.828 1.623 15.627 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.119 1.306 12.362 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.976 1.344 11.340 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.651 0.259 10.678 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.367 2.376 11.139 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.729 -1.083 12.405 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.637 0.478 13.723 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.023 0.913 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.349 2.315 12.703 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.615 3.223 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.607 2.396 10.458 1.00 0.00 H new